#------------------------------------------------------------------------------ #$Date: 2015-10-09 11:58:16 +0300 (Fri, 09 Oct 2015) $ #$Revision: 161394 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/45/1534565.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1534565 loop_ _publ_author_name 'Amiraslanov, I.R.' 'Asadov, Yu.G.' 'Valiev, R.B.' 'Musaev, A.A.' 'Guseinov, G.G.' _publ_section_title ; Structure and intercalation of Ga InS 3 (b,II) polytype ; _journal_name_full Kristallografiya _journal_page_first 1298 _journal_page_last 1299 _journal_volume 35 _journal_year 1990 _chemical_formula_sum 'Ga3.333 In3.333 S9.999' _chemical_name_systematic '(Ga In S3)3.333' _space_group_IT_number 186 _symmetry_space_group_name_Hall 'P 6c -2c' _symmetry_space_group_name_H-M 'P 63 m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 3.8134 _cell_length_b 3.8134 _cell_length_c 30.656 _cell_volume 386.074 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Amiraslanov_KRISAJ_1990_1034.cif _cod_data_source_block Ga3.333In3.333S9.999 _cod_original_cell_volume 386.0742 _cod_database_code 1534565 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 y,x,z+1/2 -x+y,y,z -x,-x+y,z+1/2 -y,-x,z x-y,-y,z+1/2 x,x-y,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv S1 S-2 0.3333 0.6667 0.7485 1 0.0 In3 In+3 0.6667 0.3333 0.3759 0.3333 0.0 Ga1 Ga+3 0.3333 0.6667 0.6223 1 0.0 Ga3 Ga+3 0.6667 0.3333 0.3759 0.3333 0.0 S4 S-2 0.6667 0.3333 0.4523 1 0.0 In1 In+3 0 0 0.506 1 0.0 In2 In+3 0 0 0.7204 0.3333 0.0 S2 S-2 0 0 0.6438 1 0.0 S5 S-2 0 0 0.3491 1 0.0 Ga2 Ga+3 0 0 0.7204 0.3333 0.0 S3 S-2 0.3333 0.6667 0.5445 1 0.0